Molecule

ID:77268

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀O₂S
Molecular Mass
170.2288
Exact Mass
170.04015056
Charge
0
InChI
InChI=1S/C8H10O2S/c1-2-10-8(9)6-7-4-3-5-11-7/h3-5H,2,6H2,1H3
InChIKey
QSUANHXENVRFDN-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)Cc1cccs1
Isomeric Smiles
s1c(ccc1)CC(=O)OCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.0265775
LogD (pH = 7.4)
2.0265775
Log P
2.0265775
Molar Refractivity
43.7732
Polarizability
17.134588
Polar Surface Area
26.3
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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